2-ethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid

C15H14N2O2S — CID 63246728

IUPAC2-ethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid
SMILESCCc1nc2cc(C(=O)O)ccc2n1Cc1ccsc1
InChIInChI=1S/C15H14N2O2S/c1-2-14-16-12-7-11(15(18)19)3-4-13(12)17(14)8-10-5-6-20-9-10/h3-7,9H,2,8H2,1H3,(H,18,19)
InChIKeyQHUKZMFFLWZOCV-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.41
Rot. Bonds4

About 2-ethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid

2-ethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid (PubChem CID 63246728) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-ethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid
PubChem CID63246728
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name2-ethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid
SMILESCCc1nc2cc(C(=O)O)ccc2n1Cc1ccsc1
InChIInChI=1S/C15H14N2O2S/c1-2-14-16-12-7-11(15(18)19)3-4-13(12)17(14)8-10-5-6-20-9-10/h3-7,9H,2,8H2,1H3,(H,18,19)
InChIKeyQHUKZMFFLWZOCV-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propyl-3-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 82774746
2-ethyl-1-(thiophen-3-ylmethyl)benzimidazol-5-amine
CID 55175058
1-methyl-2-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 63891340
2-ethyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazole-5-carboxylic acid
CID 63295630
N,2-dimethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxamide
CID 155949376
2-ethyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-5-carboxylic acid
CID 114101513
2-[(5-ethoxy-2-pyridinyl)methyl]-1-(thiophen-3-ylmethyl)-N,N-bis(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide
CID 10007883
2-propyl-1-(1,3-thiazol-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 63823909
2-ethyl-1-(2-pyrazol-1-ylethyl)benzimidazole-5-carboxylic acid
CID 61460804
2-ethyl-1-(4-hydroxy-2-methylbutyl)benzimidazole-5-carboxylic acid
CID 66107371
2-ethyl-1-(3-propoxypropyl)benzimidazole-5-carboxylic acid
CID 82940831
1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazole-5-carboxylic acid
CID 138003594

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-ethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid (CID 63246728) is 2-ethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid is CCc1nc2cc(C(=O)O)ccc2n1Cc1ccsc1.
What is the InChIKey of 2-ethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid?
The InChIKey is QHUKZMFFLWZOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-2-14-16-12-7-11(15(18)19)3-4-13(12)17(14)8-10-5-6-20-9-10/h3-7,9H,2,8H2,1H3,(H,18,19).
What are the key properties of 2-ethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid?
2-ethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid has a molecular weight of 286.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 63246728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).